Molecule

ID:118367

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₂S
Molecular Mass
306.3552032
Exact Mass
306.08382695
Charge
0
InChI
InChI=1S/C15H15FN2O2S/c16-12-4-7-14(8-5-12)21(19,20)18-9-1-2-11-3-6-13(17)10-15(11)18/h3-8,10H,1-2,9,17H2
InChIKey
FNEJLWMUQMSFIS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)N1CCCc2c1cc(N)cc2
Isomeric Smiles
S(=O)(=O)(N1c2cc(N)ccc2CCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4709692
LogD (pH = 7.4)
2.482669
Log P
2.4828203
Molar Refractivity
80.6143
Polarizability
30.80618
Polar Surface Area
63.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation